4-amino-1-naphthalen-1-ylpyrimidin-2-one

C14H11N3O — CID 11701450

IUPAC4-amino-1-naphthalen-1-ylpyrimidin-2-one
SMILESNc1ccn(-c2cccc3ccccc23)c(=O)n1
InChIInChI=1S/C14H11N3O/c15-13-8-9-17(14(18)16-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H2,15,16,18)
InChIKeyIKTSSZVAZIQFEY-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.97
Rot. Bonds1

About 4-amino-1-naphthalen-1-ylpyrimidin-2-one

4-amino-1-naphthalen-1-ylpyrimidin-2-one (PubChem CID 11701450) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-amino-1-naphthalen-1-ylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-naphthalen-1-ylpyrimidin-2-one
PubChem CID11701450
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name4-amino-1-naphthalen-1-ylpyrimidin-2-one
SMILESNc1ccn(-c2cccc3ccccc23)c(=O)n1
InChIInChI=1S/C14H11N3O/c15-13-8-9-17(14(18)16-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H2,15,16,18)
InChIKeyIKTSSZVAZIQFEY-UHFFFAOYSA-N
XLogP1.97
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-naphthalen-1-ylpyrimidin-2-one?
The IUPAC name of 4-amino-1-naphthalen-1-ylpyrimidin-2-one (CID 11701450) is 4-amino-1-naphthalen-1-ylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-naphthalen-1-ylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-naphthalen-1-ylpyrimidin-2-one is Nc1ccn(-c2cccc3ccccc23)c(=O)n1.
What is the InChIKey of 4-amino-1-naphthalen-1-ylpyrimidin-2-one?
The InChIKey is IKTSSZVAZIQFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-13-8-9-17(14(18)16-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H2,15,16,18).
What are the key properties of 4-amino-1-naphthalen-1-ylpyrimidin-2-one?
4-amino-1-naphthalen-1-ylpyrimidin-2-one has a molecular weight of 237.26 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-naphthalen-1-ylpyrimidin-2-one is sourced from PubChem (CID 11701450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).